CID 134439667

3-methoxy-2-azabicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H11NO
SMILES
COC1=NC2CCC1C2
InChI
InChI=1S/C7H11NO/c1-9-7-5-2-3-6(4-5)8-7/h5-6H,2-4H2,1H3
InChIKey
BRNQXPAZUVWPHJ-UHFFFAOYSA-N
Compound name
3-methoxy-2-azabicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.4
[M+Na]+ 148.073278 134.3
[M-H]- 124.076784 127.4
[M+NH4]+ 143.117883 151.8
[M+K]+ 164.047218 133.5
[M+H-H2O]+ 108.081320 120.6
[M+HCOO]- 170.082261 147.9
[M+CH3COO]- 184.097911 170.4
[M+Na-2H]- 146.058726 131.0
[M]+ 125.08351142 126.3
[M]- 125.08460858 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe